3,4-bis(chloranyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzenesulfonamide

Systemtic Name: 3,4-bis(chloranyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzenesulfonamide Openeye Name: 3,4-dichloro-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzenesulfonamide CAS Name: 3,4-dichloro-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: 3,4-dichloro-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzenesulfonamide Traditional Name: 3,4-dichloro-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzenesulfonamide Formula: C16H18Cl2N3O3S+ MolecularWeight: 403.30342

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNS(=O)(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNS(=O)(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H17Cl2N3O3S/c17-14-3-2-13(9-15(14)18)25(22,23)20-11-12-1-4-16(19-10-12)21-5-7-24-8-6-21/h1-4,9-10,20H,5-8,11H2/p+1